chempirical

Oxypeucedanin

C16H14O5CAS 737-52-0286.28 g/mol

Open in Covalent MOL file
OOOOO
EpoxideEther

Properties

Molecular formula
C16H14O5
Molar mass
286.28 g/mol
Exact mass
286.0841 Da
logP
3.10Crippen estimate
Polar surface area
65.1 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
737-52-0
SMILES
CC1([C@@H](O1)COC2=C3C=CC(=O)OC3=CC4=C2C=CO4)C
InChIKey
QTAGQHZOLRFCBU-ZDUSSCGKSA-N
InChI
InChI=1S/C16H14O5/c1-16(2)13(21-16)8-19-15-9-3-4-14(17)20-12(9)7-11-10(15)5-6-18-11/h3-7,13H,8H2,1-2H3/t13-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Oxypeucedanin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(+)-Oxypeucedanin hydrate2643-85-865 % similar Byakangelicol26091-79-263 % similar Bergapten484-20-857 % similar Isoimperatorin482-45-156 % similar Bergamottin7380-40-750 % similar Bergaptol486-60-248 % similar Notopterol88206-46-648 % similar (+)-Heraclenol31575-93-638 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Phenoxyacetic anhydride14316-61-1 (+)-Heraclenin2880-49-1 Sakuranetin2957-21-3 Dibenzyl pyrocarbonate31139-36-3 Brazilin474-07-7 Isosakuranetin480-43-3 Guacetisal55482-89-8 Licochalcone B58749-23-8

Elsewhere

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